8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

C19H22N4OS — CID 625473

IUPAC8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCNCC3)nc(-c3ccco3)c2CS1
InChIInChI=1S/C19H22N4OS/c1-19(2)10-13-14(11-20)18(23-7-5-21-6-8-23)22-17(15(13)12-25-19)16-4-3-9-24-16/h3-4,9,21H,5-8,10,12H2,1-2H3
InChIKeyNFIWEZFZLNMHDM-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.19
Rot. Bonds2

About 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 625473) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID625473
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1(C)Cc2c(C#N)c(N3CCNCC3)nc(-c3ccco3)c2CS1
InChIInChI=1S/C19H22N4OS/c1-19(2)10-13-14(11-20)18(23-7-5-21-6-8-23)22-17(15(13)12-25-19)16-4-3-9-24-16/h3-4,9,21H,5-8,10,12H2,1-2H3
InChIKeyNFIWEZFZLNMHDM-UHFFFAOYSA-N
XLogP3.19
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile (CID 625473) is 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCNCC3)nc(-c3ccco3)c2CS1.
What is the InChIKey of 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is NFIWEZFZLNMHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-19(2)10-13-14(11-20)18(23-7-5-21-6-8-23)22-17(15(13)12-25-19)16-4-3-9-24-16/h3-4,9,21H,5-8,10,12H2,1-2H3.
What are the key properties of 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile?
8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 354.48 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-3,3-dimethyl-6-piperazin-1-yl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 625473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).